bis(tricyclohexylphosphane) palladium

• ChemBase ID: 144261
• Molecular Formular: C36H66P2Pd
• Molecular Mass: 667.276762
• Monoisotopic Mass: 666.36746137
• SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.[Pd]
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.[Pd]
• InChI: InChI=1S/2C18H33P.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*16-18H,1-15H2
• InChIKey: JGBZTJWQMWZVNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tricyclohexylphosphane) palladium
• IUPAC Traditional name: bis(tricyclohexylphosphine) palladium
• Synonyms: Bis(tricyclohexylphosphine)palladium(0)

Database IDs

• CAS Number: 33309-88-5
• MDL Number: MFCD01073796
• PubChem SID: 162238477
• PubChem CID: 2734559

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.93183
• LogD (pH = 7.4): 4.931908
• Log P: 5.1701
• Molar Refractivity: 89.9952 cm^3
• Polarizability: 34.44912 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 87-92 °C

Safety Information

• German water hazard class: 2
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C36H66P2Pd

DETAILS

Sigma Aldrich - 736635

Packaging
1 g in glass bottle
250 mg in glass bottle